Geometry & MOs

Info

ID:

88151

PubChem CID:

49901881

Reduced:

BrIN2S2O7H22C27 (1)

Stoich.:

ABC2D2E7F22G27 (1)

Weight, g/mol:

597.03762

ΔHf, kcal/mol:

-183.7

Dipole, Da:

9.86

IP(EA), eV:

 -8.9(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)I)OS(=O)(=O)C4=CC=C(C=C4)NC(=O)C

DOS

IR

Vibrations